N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]but-2-ynamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]but-2-ynamide
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]but-2-ynamide
Compound characteristics
| Compound ID: | T003-0260 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]but-2-ynamide |
| Molecular Weight: | 272.34 |
| Molecular Formula: | C16 H20 N2 O2 |
| Smiles: | CC#CC(N[C@@H]1CN(Cc2ccccc2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2787 |
| logD: | 0.5564 |
| logSw: | -1.7041 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.714 |
| InChI Key: | VWADPFJFXUBLJA-CABCVRRESA-N |